Magnesium in PDB 1tbw: Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation

The structure of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation, PDB code: 1tbw was solved by D.T.Gewirth, R.M.Immormino, D.E.Dollins, P.L.Shaffer, M.A.Walker, K.L.Soldano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.15
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	160.202, 160.202, 109.564, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 25.9

The binding sites of Magnesium atom in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation (pdb code 1tbw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation, PDB code: 1tbw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:51.5 occ:1.00 O A:HOH502 2.3 45.7 1.0 O2P A:AMP301 2.3 41.5 1.0 OD1 A:ASN107 2.3 33.8 1.0 O A:HOH526 2.3 42.5 1.0 O A:HOH522 2.3 41.6 1.0 O A:HOH519 2.4 40.5 1.0 CG A:ASN107 3.3 34.8 1.0 P A:AMP301 3.4 39.6 1.0 O3P A:AMP301 3.5 43.2 1.0 ND2 A:ASN107 3.7 32.6 1.0 O A:HOH514 4.2 62.9 1.0 OG A:SER106 4.3 41.6 1.0 CA A:GLY198 4.3 43.7 1.0 O A:HOH561 4.3 38.9 1.0 O5' A:AMP301 4.4 42.9 1.0 O1P A:AMP301 4.5 45.8 1.0 CB A:ASN107 4.6 32.9 1.0 OD1 A:ASP110 4.7 39.6 1.0 O A:GLU103 4.7 36.1 1.0 CA A:ASN107 4.8 34.1 1.0 N A:ASN107 4.8 36.9 1.0 OE1 A:GLU103 4.8 44.4 1.0 O A:HOH628 4.9 77.3 1.0

Magnesium binding site 2 out of 2 in the Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ligand Induced Conformational Shift in the N-Terminal Domain of GRP94, Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:56.3 occ:1.00 O B:HOH819 2.3 48.6 1.0 O B:HOH882 2.4 62.3 1.0 O2P B:AMP601 2.4 46.0 1.0 OD1 B:ASN107 2.4 49.4 1.0 O B:HOH847 2.5 51.0 1.0 O B:HOH826 2.5 49.5 1.0 CG B:ASN107 3.3 49.7 1.0 ND2 B:ASN107 3.6 47.2 1.0 P B:AMP601 3.8 50.5 1.0 O B:HOH848 3.9 70.3 1.0 OG B:SER106 4.0 53.7 1.0 OE1 B:GLU103 4.1 59.6 1.0 O B:GLU103 4.1 48.2 1.0 CA B:GLY198 4.2 56.4 1.0 O3P B:AMP601 4.2 54.6 1.0 N B:GLY198 4.5 57.3 1.0 O1P B:AMP601 4.6 55.2 1.0 CB B:SER106 4.6 53.3 1.0 CB B:ASN107 4.6 49.5 1.0 N B:ASN107 4.7 51.1 1.0 O5' B:AMP601 4.8 53.7 1.0 O B:HOH888 4.8 57.9 1.0 C B:GLY198 4.8 55.1 1.0 CA B:ASN107 4.9 49.6 1.0 N B:PHE199 4.9 55.5 1.0

R.M.Immormino, D.E.Dollins, P.L.Shaffer, K.L.Soldano, M.A.Walker, D.T.Gewirth. Ligand-Induced Conformational Shift in the N-Terminal Domain of GRP94, An HSP90 Chaperone. J.Biol.Chem. V. 279 46162 2004.
ISSN: ISSN 0021-9258
PubMed: 15292259
DOI: 10.1074/JBC.M405253200